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Molecule
Sodium Dicyanamide
CAS: 1934-75-4 · C2HN3Na
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1934-75-4
- Molecular Formula
- C2HN3Na
- Molecular Mass
- 90.04 g/mol
Identifiers
CAS Registry Number
1934-75-4
SMILES
N#CNC#N.[Na]
InChI Key
JHPDENBKCMSVJT-UHFFFAOYSA-N
InChI
InChI=1S/C2HN3.Na/c3-1-5-2-4;/h5H;
Names and Synonyms
- Sodium Dicyanamide Common Name
- Cyanamide, N-cyano-, sodium salt (1:1) Synonym
- Sodium dicyanamide Synonym
- Dicyanamide, sodium salt Synonym
- Cyanamide, cyano-, sodium salt Synonym
- Sodium dicyanoamidate(1-) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 90.04 g/mol | CAS Common Chemistry |
| 90.041 g/mol | RDKit | |
| 91.049 g/mol | chempirical lib | |
| Canonical SMILES | [Na].N#CNC#N | CAS Common Chemistry |
| InChI | InChI=1S/C2HN3.Na/c3-1-5-2-4;/h5H; | CAS Common Chemistry |
| InChI Key | InChIKey=JHPDENBKCMSVJT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 315 °C | CAS Common Chemistry |
| Name | Sodium dicyanamide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 59.61 Ų | RDKit |
| LogP | -0.8426400000000001 | RDKit |
| -0.8426 | RDKit | |
| Molar Refractivity | 20.1157 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 90.006816312 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 90.04 g/mol. Edit any field — others recompute live.
